SCHEMBL6499063

SCHEMBL6499063

CCOC(=O)c1cccc(N2CCCCC2(O)OC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKCA P17252 1/20 0.41
GSK3B P49841 1/20 0.41
GALR1 P47211 1/20 0.41
MAPT P10636 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6504992 0.84 ALOX5 (0.46) ALOX5SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL6506790 0.84 ALOX5 (0.52) ALOX5SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL6507010 0.80 ALOX5 (0.50) ALOX5SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL6499714 0.79 ALOX5 (0.51) ALOX5SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL3097713 0.76 ALOX5 (0.60) ALOX5SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL10144997 0.76 ALOX5 (0.60) ALOX5SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL6501205 0.75 ALOX5 (0.49) ALOX5SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL4833669 0.74 TP53 (0.64) ALOX5SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL6499164 0.74 ALOX5 (0.44) ALOX5SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL6499709 0.74 ATM (0.53) ALOX5SMN1; SMN2ATMALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1250935-A1 REMEDIES FOR REPERFUSION INJURY CONTAINING INTEGRIN ALPHAvBETA3 ANTAGONIST MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 ALOX5 1213/4885SMN1; SMN2 1363/4885ATM 4449/4885
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 ALOX5 2232/4885SMN1; SMN2 1068/4885ATM 4230/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.